COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK617635
Chemical Name: 8-{[(1-benzylpiperidin-4-yl)ammonio]methyl}-2-oxo-4-phenyl-2H-chromen-7-olate
Smiles: O=c1cc(c2ccccc2)c2c(o1)c(C[NH2+]C1CCN(CC1)Cc1ccccc1)c(cc2)[O-]

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Saltdata: 2 HCl
Molecular Weight: 440.54
Empirical Formula: C28H28N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.301
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 69
Number of rings: 5

     

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